Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50014597'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50014597 (CHEMBL3261745) Show SMILES Cl.CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[C@H](N(C1)S(=O)(=O)c1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C19H29N5O6S.ClH/c1-3-12(2)17(20)19(27)21-10-16(25)22-13-9-15(18(26)23-28)24(11-13)31(29,30)14-7-5-4-6-8-14;/h4-8,12-13,15,17,28H,3,9-11,20H2,1-2H3,(H,21,27)(H,22,25)(H,23,26);1H/t12-,13-,15-,17-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) using succinylated gelatin as substrate preincubated for 10 mins before substrate addition measured after 30 mins...				Bioorg Med Chem 22: 3055-64 (2014) Article DOI: 10.1016/j.bmc.2013.12.025 BindingDB Entry DOI: 10.7270/Q29888JP
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